3-(2-ethenoxyethyl)-3-methylthiane

C10H18OS — CID 176604044

IUPAC3-(2-ethenoxyethyl)-3-methylthiane
SMILESC=COCCC1(C)CCCSC1
InChIInChI=1S/C10H18OS/c1-3-11-7-6-10(2)5-4-8-12-9-10/h3H,1,4-9H2,2H3
InChIKeyGUHNFOVSLXELER-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-ethenoxyethyl)-3-methylthiane

3-(2-ethenoxyethyl)-3-methylthiane (PubChem CID 176604044) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(2-ethenoxyethyl)-3-methylthiane.

Molecular Properties

Compound Name3-(2-ethenoxyethyl)-3-methylthiane
PubChem CID176604044
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-(2-ethenoxyethyl)-3-methylthiane
SMILESC=COCCC1(C)CCCSC1
InChIInChI=1S/C10H18OS/c1-3-11-7-6-10(2)5-4-8-12-9-10/h3H,1,4-9H2,2H3
InChIKeyGUHNFOVSLXELER-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylthian-4-yl)propyl hypofluorite
CID 172289558
2-(Ethenylsulfanylmethyl)-4,4-dimethyloxane
CID 139381137
4-(3-Methoxypropyl)-4-methylthiane
CID 172289500
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiane
CID 176603358
4-(Ethenoxymethyl)-4-ethylthiane
CID 176603389
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
3-(Ethenoxymethyl)-3-ethylthiane 1-oxide
CID 176603530

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenoxyethyl)-3-methylthiane?
The IUPAC name of 3-(2-ethenoxyethyl)-3-methylthiane (CID 176604044) is 3-(2-ethenoxyethyl)-3-methylthiane.
What is the SMILES notation for 3-(2-ethenoxyethyl)-3-methylthiane?
The canonical SMILES for 3-(2-ethenoxyethyl)-3-methylthiane is C=COCCC1(C)CCCSC1.
What is the InChIKey of 3-(2-ethenoxyethyl)-3-methylthiane?
The InChIKey is GUHNFOVSLXELER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-11-7-6-10(2)5-4-8-12-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 3-(2-ethenoxyethyl)-3-methylthiane?
3-(2-ethenoxyethyl)-3-methylthiane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenoxyethyl)-3-methylthiane is sourced from PubChem (CID 176604044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).